Chemical Properties of Phthalic acid, isobutyl 4-methyl-3-nitrobenzyl ester

Phthalic acid, isobutyl 4-methyl-3-nitrobenzyl ester

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InChI
InChI=1S/C20H21NO6/c1-13(2)11-26-19(22)16-6-4-5-7-17(16)20(23)27-12-15-9-8-14(3)18(10-15)21(24)25/h4-10,13H,11-12H2,1-3H3
InChI Key
ICINAKKVYWXJQM-UHFFFAOYSA-N
Formula
C20H21NO6
SMILES
Cc1ccc(COC(=O)c2ccccc2C(=O)OCC(C)C)cc1[N+](=O)[O-]
Molecular Weight1
371.38
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Physical Properties

Property Value Unit Source
Δf -121.28 kJ/mol Joback Calculated Property
Δfgas -523.12 kJ/mol Joback Calculated Property
Δfus 47.88 kJ/mol Joback Calculated Property
Δvap 101.17 kJ/mol Joback Calculated Property
log10WS -6.21 Crippen Calculated Property
logPoct/wat 4.073 Crippen Calculated Property
McVol 277.440 ml/mol McGowan Calculated Property
Pc 1723.16 kPa Joback Calculated Property
Inp [3207.00; 3207.00]   Show Hide
Inp 3207.00 NIST
Inp 3207.00 NIST
Tboil 1029.28 K Joback Calculated Property
Tc 1276.97 K Joback Calculated Property
Tfus 678.49 K Joback Calculated Property
Vc 1.063 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [874.56; 910.57] J/mol×K [1029.28; 1276.97] Show Hide
Cp,gas 874.56 J/mol×K 1029.28 Joback Calculated Property
Cp,gas 884.21 J/mol×K 1070.56 Joback Calculated Property
Cp,gas 892.35 J/mol×K 1111.84 Joback Calculated Property
Cp,gas 899.01 J/mol×K 1153.13 Joback Calculated Property
Cp,gas 904.24 J/mol×K 1194.41 Joback Calculated Property
Cp,gas 908.08 J/mol×K 1235.69 Joback Calculated Property
Cp,gas 910.57 J/mol×K 1276.97 Joback Calculated Property

Similar Compounds

Phthalic acid, 3,5-dinitro-4-methylbenzyl isobutyl ester. Phthalic acid, 4-methyl-3-nitrobenzyl propyl ester. Terephthalic acid, isobutyl 3-nitro-4-methylbenzyl ester. Phthalic acid, 4-methyl-3-nitrobenzyl pentyl ester. Phthalic acid, ethyl 4-methyl-3-nitrobenzyl ester. Phthalic acid, hexyl 4-methyl-3-nitrobenzyl ester. Phthalic acid, decyl 4-methyl-3-nitrobenzyl ester. Phthalic acid, 4-methyl-3-nitrobenzyl nonyl ester. Phthalic acid, heptyl 4-methyl-3-nitrobenzyl ester. Phthalic acid, 4-methyl-3-nitrobenzyl octyl ester. Phthalic acid, 3,5-dinitro-4-methylbenzyl propyl ester. Phthalic acid, butyl 3,5-dinitro-4-methylbenzyl ester. Phthalic acid, 3,5-dinitro-4-methylbenzyl pentyl ester. Terephthalic acid, 3-nitro-4-methylbenzyl propyl ester. Phthalic acid, 3,5-dinitro-4-methylbenzyl hexyl ester.

Find more compounds similar to Phthalic acid, isobutyl 4-methyl-3-nitrobenzyl ester.

Sources

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